General Information of the Compound
| Compound ID |
CP0330933
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| Compound Name |
(S)-2-((1r,4S)-4-methylcyclohexyl)-2-(3-(3-(2,4,6-trichlorophenyl)ureido)-2-naphthamido)acetic acid
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| Formula |
C27H26Cl3N3O4
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| Molecular Weight |
562.881
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| Canonical SMILES |
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O
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| InChI |
InChI=1S/C27H26Cl3N3O4/c1-14-6-8-15(9-7-14)23(26(35)36)32-25(34)19-10-16-4-2-3-5-17(16)11-22(19)31-27(37)33-24-20(29)12-18(28)13-21(24)30/h2-5,10-15,23H,6-9H2,1H3,(H,32,34)(H,35,36)(H2,31,33,37)/t14-,15-,23-/m0/s1
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| InChIKey |
PGXXUARYUOJTPS-NPGVVQFXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound